N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

C15H20N2O4 — CID 58856150

IUPACN-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCOC(CNC(=O)c1ccc2c(c1)NC(=O)C2)OCC
InChIInChI=1S/C15H20N2O4/c1-3-20-14(21-4-2)9-16-15(19)11-6-5-10-8-13(18)17-12(10)7-11/h5-7,14H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLFJVARRDMSEJAE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.31
Rot. Bonds7

About N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide

N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 58856150) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID58856150
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCCOC(CNC(=O)c1ccc2c(c1)NC(=O)C2)OCC
InChIInChI=1S/C15H20N2O4/c1-3-20-14(21-4-2)9-16-15(19)11-6-5-10-8-13(18)17-12(10)7-11/h5-7,14H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLFJVARRDMSEJAE-UHFFFAOYSA-N
XLogP1.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide (CID 58856150) is N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is CCOC(CNC(=O)c1ccc2c(c1)NC(=O)C2)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is LFJVARRDMSEJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-20-14(21-4-2)9-16-15(19)11-6-5-10-8-13(18)17-12(10)7-11/h5-7,14H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 58856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).